Phenylmethanesulfonic Acid

Phenylmethanesulfonic Acid

SCHEMBL35210294

COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-n2ccc3c(OC)cccc32)n1.O=S(=O)(O)Cc1ccccc1

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.42
ROCK1 Q13464 5/20 0.40
EGFR P00533 5/20 0.40
MAPK8 P45983 7/20 0.39
MAPK9 P45984 7/20 0.39
MAPK10 P53779 7/20 0.39
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
CIT O14578 1/20 0.37
DAPK3 O43293 1/20 0.37
STK16 O75716 1/20 0.37
PDGFRB P09619 1/20 0.37
EIF2AK2 P19525 1/20 0.37
CDK11B P21127 1/20 0.37
MAPK3 P27361 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPK4 P31152 1/20 0.37
TTK P33981 1/20 0.37
MAP2K4 P45985 1/20 0.37
GSK3A P49840 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19089467 0.90 KDR (0.44) KDRROCK1EGFRMAPK8MAPK9
SCHEMBL19089682 0.90 ROCK1 (0.51) KDRROCK1EGFRMAPK8MAPK9
SCHEMBL20637691 0.88 KDR (0.41) KDRROCK1EGFRMAPK8MAPK9
SCHEMBL19089686 0.85 MAPK8 (0.43) KDRROCK1EGFRMAPK8MAPK9
SCHEMBL19337070 0.83 EGFR (0.43) KDRROCK1EGFRMKNK1CCNT1
SCHEMBL30930115 0.82 KDR (0.43) KDRROCK1EGFRMAPK8MAPK9
SCHEMBL18586191 0.82 KDR (0.43) KDRROCK1EGFRMAPK8MAPK9
SCHEMBL19707904 0.80 EGFR (0.43) KDREGFRMKNK1
SCHEMBL28392219 0.79 EGFR (0.46) KDRROCK1EGFRMAPK8GSK3B
SCHEMBL30467909 0.79 EGFR (0.54) KDREGFRMKNK1CCNT1CDK9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3398939-B1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF IN PHARMACY ANCUREALL PHARMACEUTICAL SHANGHAI CO LTD (CN) 2026-05-06 EP disclosed